On the Influence of Molecular Structure on the Conductivity of Electrolyte Solutions – Sodium Chloride in Dioxane–Water Mixtures
- Authors
- Type
- Published Article
- Journal
- Zeitschrift für Physikalische Chemie
- Publisher
- De Gruyter
- Publication Date
- Feb 25, 2013
- Volume
- 227
- Issue
- 2-3
- Pages
- 285–302
- Identifiers
- DOI: 10.1524/zpch.2013.0323
- Source
- De Gruyter
- Keywords
- License
- Yellow
Abstract
Theoretical calculations of the conductivity of sodium chloride in water + 1,4-dioxane mixtures are presented and compared with experimental measurements. The method of direct correlation force in the framework of the interionic theory is used for the calculation of transport properties in connection with the associative mean spherical approximation (AMSA). The effective interactions between ions in solutions are derived with the help of Monte Carlo calculations on the Born–Oppenheimer level. This work is based on earlier studies on structure of dioxane + water mixtures and the solvation of ions in it.
